SCHEMBL6779540

SCHEMBL6779540

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.42
TLR7 Q9NYK1 9/20 0.41
FAAH O00519 1/20 0.41
TLR8 Q9NR97 6/20 0.40
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38
NUDT1 P36639 1/20 0.38
MCHR2 Q969V1 1/20 0.37
MCHR1 Q99705 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6779814 0.94 FAAH (0.47) MAPTKMT2ATLR7FAAHTLR8
SCHEMBL6773645 0.87 HDAC3 (0.44) MAPTTLR7FAAHTLR8ALDH1A1
SCHEMBL6776505 0.87 PKM (0.45) MAPTKMT2AALDH1A1NPC1HPGD
SCHEMBL6776787 0.87 MEN1 (0.42) MAPTKMT2ATLR7FAAHTLR8
SCHEMBL6782550 0.84 TLR7 (0.40) MAPTKMT2ATLR7FAAHTLR8
SCHEMBL6778839 0.84 MAPKAPK2 (0.43) MAPTTLR7TLR8NUDT1
SCHEMBL6775141 0.83 TLR7 (0.51) MAPTTLR7TLR8NUDT1
SCHEMBL6777954 0.83 TLR7 (0.41) MAPTKMT2ATLR7TLR8ALDH1A1
SCHEMBL6782960 0.83 CCR3 (0.39) MAPTKMT2ATLR7FAAHTLR8
SCHEMBL6782531 0.82 CCR3 (0.42) MAPTTLR7TLR8NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed